CID 5338628

2-nitro-n-[(e)-(2-phenylmethoxyphenyl)methylideneamino]aniline

Structural Information

Molecular Formula
C20H17N3O3
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C20H17N3O3/c24-23(25)19-12-6-5-11-18(19)22-21-14-17-10-4-7-13-20(17)26-15-16-8-2-1-3-9-16/h1-14,22H,15H2/b21-14+
InChIKey
UWNDUGAVAGVIKN-KGENOOAVSA-N
Compound name
2-nitro-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.12698 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.134256 179.9
[M+Na]+ 370.116198 183.6
[M-H]- 346.119704 190.2
[M+NH4]+ 365.160803 191.0
[M+K]+ 386.090138 175.0
[M+H-H2O]+ 330.124240 173.4
[M+HCOO]- 392.125181 208.0
[M+CH3COO]- 406.140831 212.7
[M+Na-2H]- 368.101646 188.1
[M]+ 347.12643142 178.7
[M]- 347.12752858 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.